propan-2-yl 5-cyano-2-methyl-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: propan-2-yl 5-cyano-2-methyl-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: isopropyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-cyano-2-methyl-nicotinic acid isopropyl ester Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OC(C)C

InChI

InChI=1S/C24H28N4O5S/c1-16(2)33-24(30)21-13-20(14-25)22(26-17(21)3)28-11-9-19(10-12-28)23(29)27-34(31,32)15-18-7-5-4-6-8-18/h4-8,13,16,19H,9-12,15H2,1-3H3,(H,27,29)